(E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine

C30H51N3O5Si2 — CID 177469941

About (E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine

(E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine (PubChem CID 177469941) has the molecular formula C30H51N3O5Si2 and a molecular weight of 589.93 g/mol. Its IUPAC name is (E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine.

Molecular Properties

• Compound Name: (E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine
• PubChem CID: 177469941
• Molecular Formula: C30H51N3O5Si2
• Molecular Weight: 589.93 g/mol
• Exact Mass: 589.34
• IUPAC Name: (E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine
• SMILES: CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@]2(/C=N/OC)[C@@H](/C(CO[Si](C)(C)C)=N\OC)CC[C@@H]12
• InChI: InChI=1S/C30H51N3O5Si2/c1-29-16-15-22(32-35-3)17-21(29)11-12-23-24-13-14-25(26(33-36-4)19-37-39(5,6)7)30(24,20-31-34-2)18-27(28(23)29)38-40(8,9)10/h15-17,20,23-25,27-28H,11-14,18-19H2,1-10H3/b31-20+,32-22-,33-26-/t23-,24-,25+,27-,28+,29-,30+/m0/s1
• InChIKey: NCAMUVTZEIOVQX-YZKIYQSQSA-N
• XLogP: 6.64
• TPSA: 83.23 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.93
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine?

The IUPAC name of (E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine (CID 177469941) is (E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine.

What is the SMILES notation for (E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine?

The canonical SMILES for (E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine is CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@]2(/C=N/OC)[C@@H](/C(CO[Si](C)(C)C)=N\OC)CC[C@@H]12.

What is the InChIKey of (E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine?

The InChIKey is NCAMUVTZEIOVQX-YZKIYQSQSA-N. The full InChI is InChI=1S/C30H51N3O5Si2/c1-29-16-15-22(32-35-3)17-21(29)11-12-23-24-13-14-25(26(33-36-4)19-37-39(5,6)7)30(24,20-31-34-2)18-27(28(23)29)38-40(8,9)10/h15-17,20,23-25,27-28H,11-14,18-19H2,1-10H3/b31-20+,32-22-,33-26-/t23-,24-,25+,27-,28+,29-,30+/m0/s1.

What are the key properties of (E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine?

(E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine has a molecular weight of 589.93 g/mol, XLogP of 6.64, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (E,8S,9S,10R,11S,13R,14S,17S)-N-methoxy-13-[(E)-methoxyiminomethyl]-17-[(E)-N-methoxy-C-(trimethylsilyloxymethyl)carbonimidoyl]-10-methyl-11-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-imine is sourced from PubChem (CID 177469941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).